TensorFlow GNN（TF-GNN）是张量曲线的图形神经网络的可扩展库。它是从自下而上设计的，以支持当今信息生态系统中发生的丰富的异质图数据。Google的许多生产模型都使用TF-GNN，最近已作为开源项目发布。在本文中，我们描述了TF-GNN数据模型，其KERAS建模API以及相关功能，例如图形采样，分布式训练和加速器支持。

尽管图形神经网络（GNNS）领域的进步，但目前仅使用少量数据集来评估新模型。这种持续依赖少数数据集提供了对模型之间的性能差异的最小见解，对于可能具有与用作学术基准的数据集有很大不同的工业从业人员而言，尤其具有挑战性。在Google在GNN基础架构和开源软件方面的工作过程中，我们试图开发改进的基准，这些基准可健壮，可调，可扩展且可推广。在这项工作中，我们介绍了GraphWorld，这是一种新的方法和系统，用于对任何可疑的GNN任务进行任意大量的合成图种群进行基准测试GNN模型。 GraphWorld允许用户有效地生成具有数百万个统计上不同数据集的世界。它可访问，可扩展且易于使用。 GraphWorld可以在没有专门硬件的情况下在一台计算机上运行，​​也可以轻松地扩展到在任意群集或云框架上运行。使用GraphWorld，用户对Graph Generator参数具有细粒度的控制，并且可以使用内置的超参数调整基准测试任意GNN模型。我们从GraphWorld实验中介绍了有关数以百亿个基准数据集中数以万计的GNN模型的性能特征的见解。我们进一步表明，GraphWorld有效地探索了标准基准测试的基准数据集空间区域，从而揭示了在历史上无法获得的模型之间的比较。使用GraphWorld，我们还能够研究图形属性与任务性能指标之间的关系，这对于经典的现实基准集合而言，这几乎是不可能的。

Generic Object Tracking (GOT) is the problem of tracking target objects, specified by bounding boxes in the first frame of a video. While the task has received much attention in the last decades, researchers have almost exclusively focused on the single object setting. Multi-object GOT benefits from a wider applicability, rendering it more attractive in real-world applications. We attribute the lack of research interest into this problem to the absence of suitable benchmarks. In this work, we introduce a new large-scale GOT benchmark, LaGOT, containing multiple annotated target objects per sequence. Our benchmark allows researchers to tackle key remaining challenges in GOT, aiming to increase robustness and reduce computation through joint tracking of multiple objects simultaneously. Furthermore, we propose a Transformer-based GOT tracker TaMOS capable of joint processing of multiple objects through shared computation. TaMOs achieves a 4x faster run-time in case of 10 concurrent objects compared to tracking each object independently and outperforms existing single object trackers on our new benchmark. Finally, TaMOs achieves highly competitive results on single-object GOT datasets, setting a new state-of-the-art on TrackingNet with a success rate AUC of 84.4%. Our benchmark, code, and trained models will be made publicly available.

A critical step in sharing semantic content online is to map the structural data source to a public domain ontology. This problem is denoted as the Relational-To-Ontology Mapping Problem (Rel2Onto). A huge effort and expertise are required for manually modeling the semantics of data. Therefore, an automatic approach for learning the semantics of a data source is desirable. Most of the existing work studies the semantic annotation of source attributes. However, although critical, the research for automatically inferring the relationships between attributes is very limited. In this paper, we propose a novel method for semantically annotating structured data sources using machine learning, graph matching and modified frequent subgraph mining to amend the candidate model. In our work, Knowledge graph is used as prior knowledge. Our evaluation shows that our approach outperforms two state-of-the-art solutions in tricky cases where only a few semantic models are known.

Recent advances in neural rendering imply a future of widespread visual data distributions through sharing NeRF model weights. However, while common visual data (images and videos) have standard approaches to embed ownership or copyright information explicitly or subtly, the problem remains unexplored for the emerging NeRF format. We present StegaNeRF, a method for steganographic information embedding in NeRF renderings. We design an optimization framework allowing accurate hidden information extractions from images rendered by NeRF, while preserving its original visual quality. We perform experimental evaluations of our method under several potential deployment scenarios, and we further discuss the insights discovered through our analysis. StegaNeRF signifies an initial exploration into the novel problem of instilling customizable, imperceptible, and recoverable information to NeRF renderings, with minimal impact to rendered images. Project page: https://xggnet.github.io/StegaNeRF/.

We study fair multi-objective reinforcement learning in which an agent must learn a policy that simultaneously achieves high reward on multiple dimensions of a vector-valued reward. Motivated by the fair resource allocation literature, we model this as an expected welfare maximization problem, for some non-linear fair welfare function of the vector of long-term cumulative rewards. One canonical example of such a function is the Nash Social Welfare, or geometric mean, the log transform of which is also known as the Proportional Fairness objective. We show that even approximately optimal optimization of the expected Nash Social Welfare is computationally intractable even in the tabular case. Nevertheless, we provide a novel adaptation of Q-learning that combines non-linear scalarized learning updates and non-stationary action selection to learn effective policies for optimizing nonlinear welfare functions. We show that our algorithm is provably convergent, and we demonstrate experimentally that our approach outperforms techniques based on linear scalarization, mixtures of optimal linear scalarizations, or stationary action selection for the Nash Social Welfare Objective.

Computational catalysis is playing an increasingly significant role in the design of catalysts across a wide range of applications. A common task for many computational methods is the need to accurately compute the minimum binding energy - the adsorption energy - for an adsorbate and a catalyst surface of interest. Traditionally, the identification of low energy adsorbate-surface configurations relies on heuristic methods and researcher intuition. As the desire to perform high-throughput screening increases, it becomes challenging to use heuristics and intuition alone. In this paper, we demonstrate machine learning potentials can be leveraged to identify low energy adsorbate-surface configurations more accurately and efficiently. Our algorithm provides a spectrum of trade-offs between accuracy and efficiency, with one balanced option finding the lowest energy configuration, within a 0.1 eV threshold, 86.63% of the time, while achieving a 1387x speedup in computation. To standardize benchmarking, we introduce the Open Catalyst Dense dataset containing nearly 1,000 diverse surfaces and 87,045 unique configurations.

Artificial intelligence (AI) has enormous potential to improve Air Force pilot training by providing actionable feedback to pilot trainees on the quality of their maneuvers and enabling instructor-less flying familiarization for early-stage trainees in low-cost simulators. Historically, AI challenges consisting of data, problem descriptions, and example code have been critical to fueling AI breakthroughs. The Department of the Air Force-Massachusetts Institute of Technology AI Accelerator (DAF-MIT AI Accelerator) developed such an AI challenge using real-world Air Force flight simulator data. The Maneuver ID challenge assembled thousands of virtual reality simulator flight recordings collected by actual Air Force student pilots at Pilot Training Next (PTN). This dataset has been publicly released at Maneuver-ID.mit.edu and represents the first of its kind public release of USAF flight training data. Using this dataset, we have applied a variety of AI methods to separate "good" vs "bad" simulator data and categorize and characterize maneuvers. These data, algorithms, and software are being released as baselines of model performance for others to build upon to enable the AI ecosystem for flight simulator training.

Reducing the quantity of annotations required for supervised training is vital when labels are scarce and costly. This reduction is especially important for semantic segmentation tasks involving 3D datasets that are often significantly smaller and more challenging to annotate than their image-based counterparts. Self-supervised pre-training on large unlabelled datasets is one way to reduce the amount of manual annotations needed. Previous work has focused on pre-training with point cloud data exclusively; this approach often requires two or more registered views. In the present work, we combine image and point cloud modalities, by first learning self-supervised image features and then using these features to train a 3D model. By incorporating image data, which is often included in many 3D datasets, our pre-training method only requires a single scan of a scene. We demonstrate that our pre-training approach, despite using single scans, achieves comparable performance to other multi-scan, point cloud-only methods.

IMPORTANCE: An interpretable machine learning model can provide faithful explanations of each prediction and yet maintain higher performance than its black box counterpart. OBJECTIVE: To design an interpretable machine learning model which accurately predicts EEG protopatterns while providing an explanation of its predictions with assistance of a specialized GUI. To map the cEEG latent features to a 2D space in order to visualize the ictal-interictal-injury continuum and gain insight into its high-dimensional structure. DESIGN, SETTING, AND PARTICIPANTS: 50,697 50-second cEEG samples from 2,711 ICU patients collected between July 2006 and March 2020 at Massachusetts General Hospital. Samples were labeled as one of 6 EEG activities by domain experts, with 124 different experts providing annotations. MAIN OUTCOMES AND MEASURES: Our neural network is interpretable because it uses case-based reasoning: it compares a new EEG reading to a set of learned prototypical EEG samples from the training dataset. Interpretability was measured with task-specific neighborhood agreement statistics. Discriminatory performance was evaluated with AUROC and AUPRC. RESULTS: The model achieves AUROCs of 0.87, 0.93, 0.96, 0.92, 0.93, 0.80 for classes Seizure, LPD, GPD, LRDA, GRDA, Other respectively. This performance is statistically significantly higher than that of the corresponding uninterpretable (black box) model with p<0.0001. Videos of the ictal-interictal-injury continuum are provided. CONCLUSION AND RELEVANCE: Our interpretable model and GUI can act as a reference for practitioners who work with cEEG patterns. We can now better understand the relationships between different types of cEEG patterns. In the future, this system may allow for targeted intervention and training in clinical settings. It could also be used for re-confirming or providing additional information for diagnostics.